jp500790r_si_001.pdf (185.96 kB)
One of the Distinctive Properties of Ionic Liquids over Molecular Solvents and Inorganic Salts: Enhanced Basicity Stemming from the Electrostatic Environment and “Free” Microstructure
journal contribution
posted on 2014-04-03, 00:00 authored by Qiwei Yang, Huabin Xing, Zongbi Bao, Baogen Su, Zhiguo Zhang, Yiwen Yang, Sheng Dai, Qilong RenThe basicity of ionic liquids (ILs)
underlies many important IL-based processes including the dissolution
and conversion of cellulose, the capture of CO2, and metal
catalysis. In this work, we have disclosed the nature of the basicity
of ILs, i.e., the difference between the basicity of IL and the basicity
of the molecular solvent and inorganic salt, through a quantitative
electrostatic and electronic analysis of the molecular surface for
the first time. The results reveal one of the distinctive properties
of ILs (enhanced basicity over molecular solvents and inorganic salts
with the same basic site) stemming from their special electrostatic
environment and microstructure. The enhancement is significant, from
either the electrostatic aspect or the covalent aspect of basicity.
The peculiar electrostatic environment of ILs leads to stronger basicity
than similar molecular solvents, and the relatively freer microstructure
of ILs contributes to the enhancement of basicity over their inorganic
analogues. These results are highly instructive for better understanding
the unique value of ILs and designing novel ILs to improve the efficiency
of basicity-related processes.